| Entry |
|
|---|
| Name |
(S)-Coclaurine;
Coclaurine;
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol;
1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
|
|---|
| Formula |
C17H19NO3
|
|---|
| Exact mass |
285.1365
|
|---|
| Mol weight |
285.3377
|
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| Structure |
|
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| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00943 | Reticuline biosynthesis, dopamine + 4HPAA => (S)-reticuline |
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| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C06161 (S)-Coclaurine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 21
1 C8y C 25.8543 -22.0022
2 C1y C 27.0719 -21.3032
3 C8y C 25.8486 -23.4063
4 C8x C 24.6426 -21.2973
5 C1b C 27.0778 -19.9050
6 N1x N 28.2838 -22.0138
7 C8x C 24.6426 -24.0995
8 C1x C 27.0603 -24.1054
9 C8y C 23.4309 -22.0022
10 C8y C 28.2955 -19.2116
11 C1x C 28.2779 -23.4121
12 C8y C 23.4309 -23.4063
13 O1a O 22.2190 -21.2973
14 C8x C 28.2955 -17.8133
15 C8x C 29.5131 -19.9107
16 O2a O 22.2190 -24.0995
17 C8x C 29.5131 -17.1085
18 C8x C 30.7248 -19.2116
19 C1a C 21.0130 -23.4063
20 C8y C 30.7248 -17.8133
21 O1a O 31.9308 -17.1085
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1 #Down
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 2
12 9 13 1
13 10 14 1
14 10 15 2
15 12 16 1
16 14 17 2
17 15 18 1
18 16 19 1
19 17 20 1
20 20 21 1
21 8 11 1
22 9 12 1
23 18 20 2
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